phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone

C19H20N2O — CID 132934484

IUPACphenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCCC/N=C\1c1ccccc1
InChIInChI=1S/C19H20N2O/c22-19(17-12-6-2-7-13-17)21-15-9-3-8-14-20-18(21)16-10-4-1-5-11-16/h1-2,4-7,10-13H,3,8-9,14-15H2/b20-18-
InChIKeyHDXZTHIBHJIABJ-ZZEZOPTASA-N
MW292.38 g/mol
LogP3.76
Rot. Bonds2

About phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone

phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone (PubChem CID 132934484) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone
PubChem CID132934484
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Namephenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCCC/N=C\1c1ccccc1
InChIInChI=1S/C19H20N2O/c22-19(17-12-6-2-7-13-17)21-15-9-3-8-14-20-18(21)16-10-4-1-5-11-16/h1-2,4-7,10-13H,3,8-9,14-15H2/b20-18-
InChIKeyHDXZTHIBHJIABJ-ZZEZOPTASA-N
XLogP3.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
CID 101497128
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
(4-benzyl-2-phenyl-4,5-dihydroimidazol-1-yl)-phenylmethanone
CID 11198598
phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
CID 140983481
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylic acid
CID 22723432
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone?
The IUPAC name of phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone (CID 132934484) is phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone.
What is the SMILES notation for phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone?
The canonical SMILES for phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone is O=C(c1ccccc1)N1CCCCC/N=C\1c1ccccc1.
What is the InChIKey of phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone?
The InChIKey is HDXZTHIBHJIABJ-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(17-12-6-2-7-13-17)21-15-9-3-8-14-20-18(21)16-10-4-1-5-11-16/h1-2,4-7,10-13H,3,8-9,14-15H2/b20-18-.
What are the key properties of phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone?
phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone is sourced from PubChem (CID 132934484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).